SCHEMBL7020124

SCHEMBL7020124

COc1cc(C(=O)N2CCCCc3nc(C)ccc32)ccc1C(=O)Nc1cccc2c1nc(C)n2C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.40
AVPR1B P47901 2/20 0.40
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
BACE1 P56817 1/20 0.35
AVPR2 P30518 1/20 0.35
IDO1 P14902 1/20 0.35
KCNH2 Q12809 1/20 0.35
LMNA P02545 2/20 0.34
BRD4 O60885 1/20 0.34
BRD1 O95696 1/20 0.34
BRPF1 P55201 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
BRPF3 Q9ULD4 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7014299 0.89 PDE4A (0.48) AVPR1AAVPR1BPDE4APDE4BPDE4C
SCHEMBL7019411 0.88 AVPR1A (0.55) AVPR1AAVPR1BAVPR2TP53MAPT
SCHEMBL7014179 0.86 AVPR1A (0.39) AVPR1AAVPR1BPDE4APDE4BPDE4C
SCHEMBL7019710 0.86 AVPR1A (0.41) AVPR1AAVPR1BPDE4APDE4BPDE4C
SCHEMBL7018668 0.84 AVPR1A (0.38) AVPR1AAVPR1BTHRBMEN1KMT2A
SCHEMBL7021889 0.84 AVPR1A (0.46) AVPR1AAVPR1BPDE4APDE4BPDE4C
SCHEMBL7019122 0.84 MAPT (0.39) AVPR1AAVPR1BPDE4APDE4BPDE4C
SCHEMBL7019750 0.82 MAPT (0.38) AVPR1AAVPR1BPDE4APDE4BPDE4C
SCHEMBL7021681 0.82 AVPR1A (0.43) AVPR1AAVPR1BPDE4APDE4BPDE4C
SCHEMBL7017223 0.82 BRD4 (0.42) AVPR1AAVPR1BPDE4APDE4BPDE4C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051415-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-09-24 EP disclosed
US-6495542-B1 SUCH AS 2-METHOXY-N-(2-METHYL-1H-BENZIMIDAZOL-4-YL)-4-(2,3,4,5-TETRAHYDRO-5-OXO-1H-1-BENZAZEPIN-1-YL)CARBONYL-BENZAM IDE; HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
EP-1051415-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-15 EP disclosed
WO-1999037637-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-07-29 WO disclosed